DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL5874851_dpp4

Atoms: 324
Models: 9
Best Energy: -9.577 kcal/mol

Binding Energies:
  • Pose 1: -9.577 kcal/mol
  • Pose 2: -8.95 kcal/mol
  • Pose 3: -8.902 kcal/mol
  • Pose 4: -8.881 kcal/mol
  • Pose 5: -8.475 kcal/mol
  • Pose 6: -8.409 kcal/mol
  • Pose 7: -8.278 kcal/mol
  • Pose 8: -8.254 kcal/mol
  • Pose 9: -8.174 kcal/mol
CHEMBL5874851_dpp4
Energy Plot
RMSD Scatter Plot